TL;DR: Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride (CAS 113873-29-3) is a chemical compound with molecular formula C25H43Cl2N3O3 and molecular weight 503.26816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-di(piperidin-1-yl)propan-2-yl N-(2-pentoxyphenyl)carbamate;dihydrochloride
Also Known As: Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride, 2-(1-Piperidinyl)-1-(1-piperidinylmethyl)ethyl (2-(pentyloxy)phenyl)carbamate hydrochloride, (2-(Pentyloxy)phenyl)carbamic acid 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester HCl, (2-PENTYLOXY-PH)-CARBAMIC ACID 2-PIPERIDIN-1-YL-1-PIPERIDIN-1-YL-ME-ET ESTER,HCL, 1,3-Di(piperidin-1-yl)propan-2-yl [2-(pentyloxy)phenyl]carbamate--hydrogen chloride (1/2)
| Molecular Formula | C25H43Cl2N3O3 |
| Molecular Weight | 503.26816 g/mol |
| XLogP | 5.9881 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.26816 Da |
| Heavy Atoms | 33 |
| Complexity | 472.0 |
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3.Cl.Cl |
| InChIKey | LTICQQSZKJMFNZ-UHFFFAOYSA-N |
The XLogP value of 5.9881 indicates that Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is 113873-29-3.
The molecular formula of Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is C25H43Cl2N3O3.
The molecular weight of Carbamic acid, (2-(pentyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride is 503.26816 g/mol.
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